ChemSpider 2D Image | 4-[(16-Sulfanylhexadecyl)oxy]benzoic acid | C23H38O3S

4-[(16-Sulfanylhexadecyl)oxy]benzoic acid

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID34256395

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(16-Sulfanylhexadecyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
4-[(16-Sulfanylhexadecyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[(16-sulfanylhexadécyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(16-mercaptohexadecyl)oxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 527.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.6±21.8 °C
Index of Refraction: 1.517
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 53867.41
ACD/KOC (pH 5.5): 42409.43
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 1170.98
ACD/KOC (pH 7.4): 921.91
Polar Surface Area: 85 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 387.6±3.0 cm3

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